[Pw_forum] segmentation fault

[Paolo Giannozzi]

Hi

> How can I estimate the actual requirements of memory?? 

the code prints out a very rough estimate of the dinamical memory used
(if it manages to finish a calculation, of course)

> which one is the variable or the dimension associated with the size of the
> system??

one ? many of them ! look at the number of plane waves (npwx), the maximum
number of states (nbndx), the dimensions of the FFT grid (nr1, nr2, nr3, and
nr1s, nr2s, nr3s), the number of G-vectors (ngm). In the manual there is a
section with some information on memory requirements. 

> I'd dowloaded the new version, but when I run the ./configure I
> get the following message: [...]

it's harmless. If you are annoyed by the messages, just create empty
directories CPV/ FPMD/ flib/

> I guessed this message was related to the molecular dynamic codes

you guessed right

> But when I try to run an example file, I get a segmentation fault error....

always ?

if you are using the Portland Group compiler (pgf90) verify that you
have the latest compiler patches installed (available on their site).

Also: try to remove the limits on the stack (with commands
"limits stacksize unlimited", or "ulimit -s unlimited", or something
like this). 

Paolo

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050509412
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